Found 6 hits for monomerid = 50419660 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419660
(CHEMBL1945292)Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of radiolabeled iodocyanopindolol from recombinant beta2 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419660
(CHEMBL1945292)Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419660
(CHEMBL1945292)Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50419660
(CHEMBL1945292)Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D2 receptor expressed in HEK cells by GTPgammaS binding assay |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50419660
(CHEMBL1945292)Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 3.20 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Agonist activity at beta2 adrenoceptor in guinea pig trachea assessed as reduction in methacholine-induced contraction |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this Ligand-Target Pair | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50419660
(CHEMBL1945292)Show SMILES COCCNCc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H27N3O4S/c1-28-10-9-23-12-15-4-2-3-14(11-15)7-8-22-13-18(26)16-5-6-17(25)19-20(16)29-21(27)24-19/h2-6,11,18,22-23,25-26H,7-10,12-13H2,1H3,(H,24,27)/t18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049 BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this Ligand-Target Pair | |